gochem/c/elementdata.c

// Periodic Table CVS file from
// https://github.com/Bowserinator/Periodic-Table-JSON

#include <ctype.h>
#include <stdio.h>
#include <stdlib.h>
#include <string.h>

#define MAX_ELEMENTS 120
#define MAX_CSV_LINE_LENGTH 2048

typedef struct {
  char name[50];
  char appearance[100];
  double atomic_mass;
  double boil;
  char category[50];
  double density;
  char discovered_by[50];
  double melt;
  double molar_heat;
  char named_by[50];
  int number;
  int period;
  int group;
  char phase[10];
  char source[100];
  char bohr_model_image[200];
  char bohr_model_3d[200];
  char spectral_img[200];
  char summary[500];
  char symbol[3];
  int xpos;
  int ypos;
  int wxpos;
  int wypos;
  char shells[50];
  char electron_configuration[50];
  char electron_configuration_semantic[50];
  double electron_affinity;
  double electronegativity_pauling;
  char ionization_energies[200];
  char cpk_hex[10];
  char block[2];
  char image_title[200];
  char image_url[200];
  char image_attribution[200];
} Element;

// Function to trim leading and trailing whitespaces
char *trimWhitespace(char *str) {
  char *end;

  // Trim leading space
  while (isspace((unsigned char)*str))
    str++;

  if (*str == 0) // All spaces?
    return str;

  // Trim trailing space
  end = str + strlen(str) - 1;
  while (end > str && isspace((unsigned char)*end))
    end--;

  // Write new null terminator character
  end[1] = '\0';

  return str;
}

// Function to parse a CSV line considering quoted fields
void parseCSVLine(char *line, char **fields, int field_count) {
  int field_index = 0;
  int in_quotes = 0;
  char *field_start = line;

  for (char *p = line; *p; p++) {
    if (*p == '\"') {
      in_quotes = !in_quotes; // Toggle quote state
    } else if (*p == ',' && !in_quotes) {
      *p = '\0';
      fields[field_index++] = trimWhitespace(field_start);
      field_start = p + 1;
    }
  }

  fields[field_index] = trimWhitespace(field_start);
}

// Function to parse the CSV file
Element *parseCSV(const char *filename, int *element_count) {
  FILE *file = fopen(filename, "r");
  if (!file) {
    perror("Unable to open file");
    return NULL;
  }

  Element *elements = (Element *)malloc(MAX_ELEMENTS * sizeof(Element));
  if (!elements) {
    perror("Unable to allocate memory");
    fclose(file);
    return NULL;
  }

  char line[MAX_CSV_LINE_LENGTH];
  fgets(line, sizeof(line), file); // Skip the header line

  *element_count = 0;
  while (fgets(line, sizeof(line), file)) {
    if (*element_count >= MAX_ELEMENTS)
      break;

    char *fields[35] = {0}; // Array to hold all fields in the CSV line
    parseCSVLine(line, fields, 35);

    Element elem = {0}; // Initialize all struct members to zero or empty

    strncpy(elem.name, fields[0], sizeof(elem.name) - 1);
    strncpy(elem.appearance, fields[1], sizeof(elem.appearance) - 1);
    elem.atomic_mass = atof(fields[2]);
    elem.boil = atof(fields[3]);
    strncpy(elem.category, fields[4], sizeof(elem.category) - 1);
    elem.density = atof(fields[5]);
    strncpy(elem.discovered_by, fields[6], sizeof(elem.discovered_by) - 1);
    elem.melt = atof(fields[7]);
    elem.molar_heat = atof(fields[8]);
    strncpy(elem.named_by, fields[9], sizeof(elem.named_by) - 1);
    elem.number = atoi(fields[10]);
    elem.period = atoi(fields[11]);
    elem.group = atoi(fields[12]);
    strncpy(elem.phase, fields[13], sizeof(elem.phase) - 1);
    strncpy(elem.source, fields[14], sizeof(elem.source) - 1);
    strncpy(elem.bohr_model_image, fields[15],
            sizeof(elem.bohr_model_image) - 1);
    strncpy(elem.bohr_model_3d, fields[16], sizeof(elem.bohr_model_3d) - 1);
    strncpy(elem.spectral_img, fields[17], sizeof(elem.spectral_img) - 1);
    strncpy(elem.summary, fields[18], sizeof(elem.summary) - 1);
    strncpy(elem.symbol, fields[19], sizeof(elem.symbol) - 1);
    elem.xpos = atoi(fields[20]);
    elem.ypos = atoi(fields[21]);
    elem.wxpos = atoi(fields[22]);
    elem.wypos = atoi(fields[23]);
    strncpy(elem.shells, fields[24], sizeof(elem.shells) - 1);
    strncpy(elem.electron_configuration, fields[25],
            sizeof(elem.electron_configuration) - 1);
    strncpy(elem.electron_configuration_semantic, fields[26],
            sizeof(elem.electron_configuration_semantic) - 1);
    elem.electron_affinity = atof(fields[27]);
    elem.electronegativity_pauling = atof(fields[28]);
    strncpy(elem.ionization_energies, fields[29],
            sizeof(elem.ionization_energies) - 1);
    strncpy(elem.cpk_hex, fields[30], sizeof(elem.cpk_hex) - 1);
    strncpy(elem.block, fields[31], sizeof(elem.block) - 1);
    strncpy(elem.image_title, fields[32], sizeof(elem.image_title) - 1);
    strncpy(elem.image_url, fields[33], sizeof(elem.image_url) - 1);
    strncpy(elem.image_attribution, fields[34],
            sizeof(elem.image_attribution) - 1);

    elements[*element_count] = elem;
    (*element_count)++;
  }

  fclose(file);
  return elements;
}

int testParser() {
  int element_count;
  Element *elements = parseCSV("resources/periodictable.csv", &element_count);
  if (elements) {
    for (int i = 0; i < element_count; i++) {
      printf("Element: %s (%s)\n", elements[i].name, elements[i].symbol);
      printf("Atomic Mass: %.2f\n", elements[i].atomic_mass);
      printf("Category: %s\n", elements[i].category);
      printf("Atomic Number: %d\n", elements[i].number);
      printf("Period: %d\n", elements[i].period);
      printf("Group: %d\n", elements[i].group);
      printf("Phase: %s\n", elements[i].phase);
      printf("Summary: %s\n", elements[i].summary);
      printf("Shells: %s\n", elements[i].shells);
      printf("Electron Configuration: %s\n",
             elements[i].electron_configuration);
      printf("Electron Configuration Semantic: %s\n",
             elements[i].electron_configuration_semantic);
      printf("Electron Affinity: %.2f\n", elements[i].electron_affinity);
      printf("Electronegativity Pauling: %.2f\n",
             elements[i].electronegativity_pauling);
      printf("Ionization Energies: %s\n", elements[i].ionization_energies);
      printf("CPK Hex Color: %s\n", elements[i].cpk_hex);
      printf("Block: %s\n", elements[i].block);
    }
    free(elements);
  }
  return 0;
}